NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.3106 8.4444 118.7944 56.4184 31.6880 176.2441 6 T 3.6328 8.0518 113.5068 62.7006 68.4309 173.8780 7 C 4.8174 9.4583 126.3088 56.2141 42.2459 170.9552 8 P 4.4138 0.0000 0.0000 65.9434 31.4897 178.1870 9 I 3.8546 7.6811 117.0493 63.8240 37.7500 177.6511 10 F 3.9676 8.0622 121.7451 61.6484 39.1172 176.8485 11 Y 4.2513 7.9666 115.6398 60.8737 37.7250 177.7965 12 D 4.3830 8.5796 120.5292 57.4423 40.9211 179.0309 13 V 3.5312 7.8410 118.6956 65.7646 31.5008 177.7532 14 F 3.8753 8.1399 120.8049 61.1244 39.1509 176.8884 15 F 3.6625 8.5240 120.2059 60.9782 39.1828 176.8745 16 A 3.9523 8.0289 120.3983 55.1737 18.1249 179.5756 17 V 3.2599 7.8198 116.7372 66.2464 31.3907 178.2344 18 A 2.8078 7.1663 119.1470 53.9161 18.1076 178.3362 19 N 4.4121 7.3934 112.8541 52.5457 39.0140 175.9542 20 G 3.7067 7.2490 108.1106 45.9338 0.0000 172.8455 21 N 4.6111 7.6895 118.9392 51.9710 39.3804 175.5488 22 E 3.9531 8.7766 127.1796 59.0245 29.7699 178.2397 23 L 3.9193 7.8660 119.9232 58.2807 42.4067 178.7304 24 L 4.0013 8.5903 119.3014 57.6596 41.5231 179.3811 25 L 3.9113 7.7693 119.6989 58.3439 42.0707 178.8573 26 D 4.3530 8.2297 118.8476 57.2906 40.5092 178.6884 27 L 3.9995 8.0818 119.0432 57.9683 41.7650 179.5090 28 S 4.2940 8.0511 114.8615 61.4654 62.8493 176.6943 29 L 3.9945 8.0796 121.7403 57.9308 41.4034 179.5821 30 T 3.8581 7.9297 115.8375 66.7012 68.1885 176.7905 31 K 4.0416 7.7460 119.0663 58.9103 32.2019 178.0751 32 V 4.2454 7.6634 110.2903 60.8846 31.8125 175.1503 33 N 4.1435 8.0019 114.2518 53.9425 36.4290 174.8936 34 A 4.2794 7.7581 120.1657 52.5449 19.3127 179.1693 35 T 4.3752 8.5568 112.8911 60.6688 71.5184 176.2796 36 E 3.9580 8.4929 120.2095 59.2117 29.4381 177.9154 37 P 4.2548 0.0000 0.0000 65.4210 31.3769 178.5414 38 E 3.9605 8.1090 117.2361 59.3179 29.3454 179.5772 39 R 3.8832 8.0488 118.0585 59.5206 30.2595 178.9323 40 T 3.8437 8.1721 115.6532 66.7633 68.5386 176.3030 41 A 3.9908 8.1298 122.2983 55.6549 18.3925 179.7193 42 M 4.1124 8.0955 117.0831 58.3258 31.8788 179.1974 43 K 4.0117 8.1695 118.8573 59.0796 32.2424 179.5897 44 K 4.0144 7.8838 118.6451 59.3019 31.8187 179.4098 45 I 3.8010 7.6684 119.6459 64.4995 37.1129 177.9671 46 Q 4.2042 8.3348 120.5599 59.6840 28.7063 178.3382 47 D 4.4162 8.5134 119.9207 57.6784 40.6024 178.2126 48 C 4.2453 7.9228 115.5222 60.2245 38.0104 175.5103 49 Y 3.9998 7.8773 118.3342 60.9523 37.0320 178.6570 50 V 3.6368 7.9845 119.1090 66.3234 31.4428 178.0217 51 E 4.0679 8.3463 116.5362 58.4862 29.3366 177.9670 52 N 4.7764 7.7670 114.0070 51.8419 39.6098 175.5916 53 G 3.9840 7.6283 106.9459 44.9983 0.0000 174.6211 54 L 3.9333 8.2982 119.0440 58.1414 41.9708 178.6394 55 I 3.7476 7.6879 118.2061 63.9253 38.0131 177.5115 56 S 4.1124 8.0772 113.6956 61.6026 62.2306 176.3233 57 R 4.1505 7.9608 120.2481 59.0042 29.7927 179.1654 58 V 3.5973 7.8983 118.2352 66.0672 31.5444 178.1740 59 L 4.0641 8.1573 118.8091 57.8590 41.4581 179.0233 60 D 4.6057 8.4679 118.2222 57.1790 41.0809 178.5408 61 G 3.8708 8.2426 106.6322 47.5278 0.0000 175.4713 62 L 3.9817 8.0442 122.6904 57.9660 42.1129 179.2451 63 V 3.5724 7.8311 118.1613 66.2717 31.4941 177.6061 64 M 3.8996 8.0418 117.8872 59.0184 32.0949 178.3562 65 T 3.8794 8.2259 116.3163 66.6966 68.3751 176.8566 66 T 4.0051 7.9043 110.9872 64.5726 69.1768 176.7629 67 I 3.2494 7.7319 122.6681 64.1536 36.8420 178.6137 68 S 4.1809 8.0074 115.0671 60.6082 62.6287 175.8911 69 S 4.6985 7.4360 114.2056 57.1779 63.4392 174.1772 70 S 4.4922 7.2599 118.2332 58.0097 63.7748 175.4929 71 K 3.9769 8.6230 120.0776 59.6657 31.7430 178.2453 72 D 4.6453 8.1429 114.4548 53.9595 39.5531 176.3552 73 C 4.7687 7.5122 117.3352 55.2936 42.4132 172.9893 *93 E 4.1978 8.2706 118.8219 55.6548 30.2344 175.6257 94 I 3.5571 8.0620 120.8560 60.8844 38.7604 176.1998 95 C 4.2755 8.5542 127.2286 56.0215 45.4412 172.3427 96 P 3.9869 0.0000 0.0000 65.8579 30.9498 178.5815 97 A 4.0113 7.8724 118.9612 54.8357 18.3183 179.8036 98 V 3.3512 7.4926 116.9708 65.9451 31.6447 178.0199 99 K 3.7426 7.7147 118.8996 59.6255 31.9347 178.4099 100 R 3.9801 8.0969 118.8633 59.3948 29.9210 177.9904 101 D 4.5539 7.9950 117.7222 57.4304 41.3570 178.4771 102 V 3.7753 8.0533 118.7975 66.0512 31.4914 177.6745 103 D 4.4722 8.7486 119.1102 57.5143 40.6454 178.9099 104 L 4.0713 8.2510 119.4264 57.7637 41.4535 179.1132 105 F 3.4061 8.3164 119.7110 60.9768 39.2211 176.6581 106 L 4.1249 7.7815 117.2427 56.3471 42.0207 177.6349 107 T 4.4470 8.0776 105.7869 61.1042 70.3585 174.4369 108 G 3.9325 7.9141 111.7193 44.7670 0.0000 173.9766 109 T 4.1664 8.3672 109.9702 60.5652 70.7380 173.7457 110 P 4.3516 0.0000 0.0000 66.1694 31.2975 178.6367 111 D 4.4113 8.1263 116.9216 57.3792 40.8952 178.5650 112 E 3.9821 8.2321 119.0107 59.5481 29.5110 178.7391 113 Y 4.2692 8.2237 119.4744 60.9171 38.9501 178.3906 114 V 3.2836 8.2443 119.5488 65.7204 31.3909 177.3797 115 E 3.8907 8.2162 118.5147 59.4769 29.3218 178.3650 116 Q 4.1024 7.9783 119.1484 59.1534 29.0972 178.3089 117 V 3.6394 7.6571 119.1474 65.9539 31.3124 177.8916 118 A 4.1588 7.8530 119.3998 54.9746 18.2216 179.3050 119 Q 3.9051 7.6514 115.3385 58.2829 28.6768 176.7441 120 Y 4.4605 7.5944 116.1471 58.6579 39.8536 175.7903 121 K 4.2083 7.7997 117.9831 56.2686 32.6916 173.9700 122 A 4.7055 8.2497 130.0830 51.7196 19.8311 177.3189 123 L 4.1534 7.8110 120.3606 55.5793 42.8999 175.7485 124 P 4.2610 0.0000 0.0000 66.0062 31.3677 179.2740 125 V 3.6462 7.7584 110.4696 64.0504 31.4979 178.7041 126 V 3.6200 7.7175 117.9471 65.9382 31.4863 177.9652 127 L 4.0249 7.9366 118.7690 57.6775 41.4492 179.2413 128 E 3.9826 8.4910 118.9128 59.4847 29.4239 178.9316 129 N 4.3120 8.4192 116.8617 56.6083 38.9399 176.7258 130 A 4.1925 8.1927 122.2192 55.3177 18.4109 179.6387 131 R 3.9851 8.2982 117.2516 59.4369 30.0714 178.8449 132 I 3.7104 7.8460 119.7472 64.4205 37.1061 178.4075 133 L 3.9301 7.9580 119.7988 57.5302 41.4630 179.4414 134 K 3.4987 8.4812 119.7058 59.6487 32.1756 178.5283 135 N 4.3013 8.4470 116.9647 56.3204 38.3628 176.6163 136 C 4.1859 8.2419 119.9111 59.9133 44.9622 176.1841 137 V 3.4327 7.8024 114.0600 64.3115 30.7894 178.3587 138 D 4.2385 7.8134 117.8612 57.2023 40.6808 178.3439 139 A 4.0985 7.7474 120.5467 54.7414 18.4973 179.1257 140 K 4.0671 8.0272 117.1682 57.7855 32.7578 177.0302 141 M 4.5184 7.5027 118.9123 54.1373 33.1885 176.8614 142 T 4.2118 8.5538 114.5659 60.9986 71.2542 175.4767 143 E 3.9326 8.6605 120.4057 59.8019 29.4496 179.3676 144 E 4.1362 8.1219 118.5685 59.3038 29.6484 178.4152 145 D 4.3508 8.2872 119.2404 57.3262 41.0191 178.9558 146 K 3.9783 8.1494 118.9643 59.3051 32.0550 179.1989 147 E 3.9739 8.2059 118.8743 59.7696 29.4487 179.3577 148 N 4.5681 8.4323 117.2653 55.4593 38.5056 177.4233 149 A 4.0113 8.3568 122.7985 55.1520 18.4541 179.7258 150 L 3.9997 7.9213 117.4563 57.8971 41.5916 179.8820 151 S 4.1767 8.2423 114.3113 61.1561 62.8922 176.4067 152 L 3.9122 7.9334 124.1156 57.9724 41.8250 178.8922 153 L 3.7007 8.0282 119.0412 57.7125 41.5786 179.1916 154 D 4.4201 8.0016 118.8867 57.3717 40.5151 179.0207 155 K 4.0365 7.5818 117.6167 59.1973 32.2388 179.3147 156 I 3.8240 7.4485 120.2419 64.7562 36.8831 178.1817 157 Y 4.4894 7.6873 116.0831 60.2598 37.7434 177.3593 158 T 4.4479 7.4498 107.9554 60.8167 69.9132 175.3609 159 S 4.3250 7.4784 117.2560 57.7862 64.3977 173.0374 160 P 4.2815 0.0000 0.0000 65.3600 30.8835 178.5686 161 L 4.1413 8.0886 117.2924 56.3891 41.4594 177.7642 162 C 4.5122 8.2626 118.8604 58.7847 44.1416 175.2834 163 L 4.0409 7.8756 118.1123 56.1210 41.6441 176.6187 164 E 4.2965 8.3142 122.6999 56.3528 29.8244 175.5829 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 E 8.44 4.31 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 6 T 8.05 3.63 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 7 C 9.46 4.82 0.00 3.13 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.41 0.00 2.27 2.18 0.00 3.95 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 9 I 7.68 3.85 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.23 1.01 0.00 0.00 10 F 8.06 3.97 0.00 2.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.97 4.25 0.00 3.33 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.58 4.38 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.84 3.53 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.88 0.00 0.00 14 F 8.14 3.88 0.00 2.60 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.52 3.66 0.00 3.23 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.03 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.82 3.26 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.83 0.00 0.00 18 A 7.17 2.81 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 7.39 4.41 0.00 2.29 2.55 0.00 0.00 7.04 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.25 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.69 4.61 0.00 2.72 2.73 0.00 0.00 6.87 8.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.78 3.95 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 23 L 7.87 3.92 0.00 1.79 1.83 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.59 4.00 0.00 1.74 1.75 1.08 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.77 3.91 0.00 1.83 1.78 0.87 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.23 4.35 0.00 2.94 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.08 4.00 0.00 1.71 1.72 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.05 4.29 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.08 3.99 0.00 1.68 1.70 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.93 3.86 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 31 K 7.75 4.04 0.00 1.85 1.87 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.57 7.81 32 V 7.66 4.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.90 0.00 0.00 33 N 8.00 4.14 0.00 2.89 2.89 0.00 0.00 6.81 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.76 4.28 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.56 4.38 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 36 E 8.49 3.96 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 37 P 0.00 4.25 0.00 2.35 2.09 0.00 3.54 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 38 E 8.11 3.96 0.00 2.28 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.48 0.00 39 R 8.05 3.88 0.00 2.05 1.96 0.00 3.27 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 40 T 8.17 3.84 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 41 A 8.13 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.10 4.11 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.92 0.00 43 K 8.17 4.01 0.00 2.02 1.85 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.54 7.81 44 K 7.88 4.01 0.00 1.98 1.86 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.60 7.81 45 I 7.67 3.80 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.96 1.28 0.00 0.00 46 Q 8.33 4.20 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 47 D 8.51 4.42 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 C 7.92 4.25 0.00 3.18 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.88 4.00 0.00 3.17 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.98 3.64 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.01 0.00 0.00 51 E 8.35 4.07 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 52 N 7.77 4.78 0.00 2.73 2.81 0.00 0.00 7.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.63 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.30 3.93 0.00 1.76 1.67 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.69 3.75 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.07 0.92 0.00 0.00 56 S 8.08 4.11 0.00 3.96 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.96 4.15 0.00 2.03 2.08 0.00 3.53 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00 58 V 7.90 3.60 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.96 0.00 0.00 59 L 8.16 4.06 0.00 2.08 1.74 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.47 4.61 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.24 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.04 3.98 0.00 2.02 1.82 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.83 3.57 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.04 0.00 0.00 64 M 8.04 3.90 0.00 2.13 1.54 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 1.69 0.00 65 T 8.23 3.88 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 66 T 7.90 4.01 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 67 I 7.73 3.25 1.60 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 1.17 0.45 0.00 0.00 68 S 8.01 4.18 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.44 4.70 0.00 4.02 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.26 4.49 0.00 4.17 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.62 3.98 0.00 1.79 1.93 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.45 7.81 72 D 8.14 4.65 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 C 7.51 4.77 0.00 3.09 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *93 E 8.27 4.20 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 94 I 8.06 3.56 1.66 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.20 0.20 0.00 0.00 95 C 8.55 4.28 0.00 2.94 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 3.99 0.00 2.15 2.04 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 97 A 7.87 4.01 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.49 3.35 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.83 0.00 0.00 99 K 7.71 3.74 0.00 1.44 1.69 0.00 1.89 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.79 0.69 7.81 100 R 8.10 3.98 0.00 1.99 2.15 0.00 3.19 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 101 D 8.00 4.55 0.00 3.11 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.05 3.78 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.24 0.00 0.00 103 D 8.75 4.47 0.00 2.90 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.25 4.07 0.00 2.25 2.03 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.32 3.41 0.00 2.73 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.78 4.12 0.00 1.84 1.70 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.08 4.45 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 108 G 7.91 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 T 8.37 4.17 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 110 P 0.00 4.35 0.00 2.22 2.21 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.33 0.00 111 D 8.13 4.41 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.23 3.98 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 113 Y 8.22 4.27 0.00 3.29 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.24 3.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.05 0.00 0.00 115 E 8.22 3.89 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 116 Q 7.98 4.10 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.51 2.63 0.00 117 V 7.66 3.64 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.40 0.00 0.00 118 A 7.85 4.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 7.65 3.91 0.00 1.76 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 120 Y 7.59 4.46 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 7.80 4.21 0.00 1.73 1.73 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.43 7.81 122 A 8.25 4.71 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.81 4.15 0.00 1.71 1.62 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.26 0.00 2.16 2.11 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 125 V 7.76 3.65 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 126 V 7.72 3.62 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.96 0.00 0.00 127 L 7.94 4.02 0.00 1.89 1.69 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.49 3.98 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 129 N 8.42 4.31 0.00 2.89 3.03 0.00 0.00 7.15 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.19 4.19 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.30 3.99 0.00 2.06 2.11 0.00 3.13 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 132 I 7.85 3.71 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.50 0.92 0.00 0.00 133 L 7.96 3.93 0.00 1.87 1.79 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.48 3.50 0.00 2.05 2.17 0.00 1.11 0.00 0.00 1.22 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.49 7.81 135 N 8.45 4.30 0.00 2.94 2.84 0.00 0.00 6.72 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 C 8.24 4.19 0.00 3.03 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.80 3.43 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.17 0.00 0.00 138 D 7.81 4.24 0.00 2.77 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 7.75 4.10 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.03 4.07 0.00 1.88 1.81 0.00 1.93 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 M 7.50 4.52 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.45 0.00 142 T 8.55 4.21 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 143 E 8.66 3.93 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 144 E 8.12 4.14 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 145 D 8.29 4.35 0.00 2.95 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 8.15 3.98 0.00 1.91 1.84 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.58 7.81 147 E 8.21 3.97 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 148 N 8.43 4.57 0.00 2.99 2.86 0.00 0.00 6.44 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.36 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.92 4.00 0.00 1.93 1.76 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 151 S 8.24 4.18 0.00 4.06 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.93 3.91 0.00 1.82 1.84 0.85 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 153 L 8.03 3.70 0.00 1.85 1.30 1.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 154 D 8.00 4.42 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 K 7.58 4.04 0.00 1.87 1.97 0.00 1.78 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.63 7.81 156 I 7.45 3.82 1.73 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.70 0.98 0.00 0.00 157 Y 7.69 4.49 0.00 2.96 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 T 7.45 4.45 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 159 S 7.48 4.32 0.00 4.12 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 P 0.00 4.28 0.00 2.21 2.10 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 161 L 8.09 4.14 0.00 1.73 1.74 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 162 C 8.26 4.51 0.00 3.15 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 L 7.88 4.04 0.00 1.68 1.72 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 164 E 8.31 4.30 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.